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Basic Information
CAS No.: 207974-07-0
Name: 3-AMINO-4-(METHYLTHIO)BENZOTRIFLUORIDE
Molecular Structure:
Molecular Structure of 207974-07-0 (3-AMINO-4-(METHYLTHIO)BENZOTRIFLUORIDE)
Formula: C8H8F3NS
Molecular Weight: 207.219
Synonyms: 3-Amino-4-(methylthio)benzotrifluoride;
Density: 1.32 g/cm3
Boiling Point: 242.4 °C at 760 mmHg
Flash Point: 100.4 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 51.32000
LogP: 3.59070
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  • 3-amino-4-(methylthio)benzotrifluoride  CAS NO.207974-07-0

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Specification

The Benzenamine,2-(methylthio)-5-(trifluoromethyl)-, with the CAS registry number 207974-07-0, is also known as 3-Amino-4-(methylthio)benzotrifluoride. This chemical's molecular formula is C8H8F3NS and molecular weight is 207.22. What's more, its systematic name is called 2-(Methylsulfanyl)-5-(trifluoromethyl)aniline. It should be kept in a cold and dry place.

Physical properties about Benzenamine,2-(methylthio)-5-(trifluoromethyl)- are: (1) ACD/LogP: 3.05; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 3.05; (4) ACD/LogD (pH 7.4): 3.05; (5) ACD/BCF (pH 5.5): 123.18; (6) ACD/BCF (pH 7.4): 123.27; (7) ACD/KOC (pH 5.5): 1091.25; (8) ACD/KOC (pH 7.4): 1092.03; (9) #H bond acceptors: 1; (10) #H bond donors: 2; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: 28.54 Å2; (13)Index of Refraction: 1.527; (14) Molar Refractivity: 47.99 cm3; (15) Molar Volume: 155.9 cm3; (16) Surface Tension: 37.4 dyne/cm; (17) Density: 1.32 g/cm3; (18) Flash Point: 100.4 °C; (19) Enthalpy of Vaporization: 47.93 kJ/mol; (20) Boiling Point: 242.4 °C at 760 mmHg; (21) Vapour Pressure: 0.0341 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)c1ccc(SC)c(N)c1
(2) InChI: InChI=1/C8H8F3NS/c1-13-7-3-2-5(4-6(7)12)8(9,10)11/h2-4H,12H2,1H3
(3) InChIKey: OQFOLJGOVFYDHZ-UHFFFAOYAP